5-(3-methylbut-2-en-2-yl)thianthren-5-ium

Systemtic Name: 5-(3-methylbut-2-en-2-yl)thianthren-5-ium Openeye Name: 5-(1,2-dimethylprop-1-enyl)thianthren-5-ium CAS Name: 5-(3-methylbut-2-en-2-yl)thianthren-5-ium IUPAC Name: 5-(3-methylbut-2-en-2-yl)thianthren-5-ium Traditional Name: 5-(1,2-dimethylprop-1-enyl)thianthren-5-ium Formula: C17H17S2+ MolecularWeight: 285.44688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31)C

Isomeric SMILES

CC(=C(C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31)C

InChI

InChI=1S/C17H17S2/c1-12(2)13(3)19-16-10-6-4-8-14(16)18-15-9-5-7-11-17(15)19/h4-11H,1-3H3/q+1